
###########################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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#
#  This CIF contains data generated directly from one or more entries in
#  the Cambridge Structural Database and will include bibliographic, 
#  chemical, crystal, experimental, refinement, and atomic coordinate data,
#  as available.
#     
#  Copyright  2014  The Cambridge Crystallographic Data Centre
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#  This CIF is provided on the understanding that it is used for bona fide 
#  research purposes only.  It may contain copyright material of the CCDC
#  or of third parties, and may not be copied or further disseminated in 
#  any form, whether machine-readable or not, except for the purpose of 
#  generating routine backup copies on your local computer system.
# 
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#  retrieval see <www.ccdc.cam.ac.uk>. Bona fide researchers may freely 
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data_CSD_CIF_APURAF
_audit_creation_date 2011-07-11
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD APURAF
_database_code_depnum_ccdc_archive 'CCDC 797907'
_chemical_formula_sum 'C163 H163 Cl12 F5 N26 O22'
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 18.372(4)
_cell_length_b 19.185(4)
_cell_length_c 24.904(5)
_cell_angle_alpha 81.34(3)
_cell_angle_beta 70.43(3)
_cell_angle_gamma 85.92(3)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Cl 0.96
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl1 Cl 0.91692(19) 0.08271(17) 0.41433(12)
Cl2 Cl 0.9392(4) 0.19928(17) 0.47205(15)
F1 F 0.33891(14) 0.65104(13) 0.24050(11)
Cl3 Cl 1.04921(16) 0.0820(3) 0.44881(12)
F2 F 0.52803(17) 0.90421(14) 0.32119(12)
F3 F 0.55428(16) 0.72089(15) 0.09567(11)
Cl4 Cl 0.89893(13) 0.1376(2) 0.06030(15)
F4 F 0.34054(17) 0.74549(16) 0.40356(11)
Cl5 Cl 1.0103(2) 0.2302(3) 0.06958(14)
F5 F 0.6741(2) 0.7821(2) 0.19647(14)
Cl6 Cl 1.0024(2) 0.21977(16) -0.04355(13)
O1 O 0.07177(17) 0.45839(17) 0.33864(13)
O2 O 0.5052(2) 0.90837(16) 0.52254(13)
O3 O 0.7833(2) 1.09861(17) 0.28909(15)
O4 O 0.1288(2) 0.5805(2) 0.49020(16)
O5 O 0.4332(2) 0.99087(16) 0.21129(14)
O6 O 0.4026(2) 0.91059(17) 0.16447(14)
O7 O 0.54354(19) 0.55909(18) 0.32076(15)
O8 O 0.1981(2) 0.4632(2) 0.13408(15)
O9 O 0.3208(2) 0.71299(17) 0.64979(14)
O10 O 0.6574(2) 0.61209(18) 0.30037(17)
O11 O 0.4342(2) 0.5974(2) -0.00986(15)
O12 O 0.6552(3) 0.7987(2) 0.44640(18)
O13 O 0.8453(2) 0.8964(2) 0.01287(17)
O14 O 0.7480(2) 0.8247(2) -0.14504(15)
O15 O 0.8672(3) 0.9384(2) 0.2857(2)
O16 O 0.7496(2) 1.06330(19) 0.10017(16)
N1 N 0.3522(2) 0.6101(2) 0.13857(16)
O17 O 0.5062(3) 0.8778(2) -0.04525(17)
N2 N 0.2329(2) 0.60004(19) 0.34135(16)
N3 N 0.6345(2) 0.98817(19) 0.23889(16)
N4 N 0.3946(2) 0.80049(19) 0.47750(16)
O18 O 0.1731(3) 0.9475(3) 0.4300(3)
N5 N 0.4745(3) 0.8797(2) 0.2244(2)
H1 H 0.49420 0.89540 0.24700
N6 N 0.2405(2) 0.6384(2) 0.43609(18)
H2 H 0.27000 0.64850 0.40110
O19 O 0.3743(3) 0.4335(2) 0.2389(2)
N7 N 0.6430(3) 0.9939(2) 0.12882(17)
H3 H 0.60980 0.97330 0.15930
N8 N 0.4959(3) 0.8923(2) 0.04693(18)
H4 H 0.46900 0.88050 0.08240
O20 O 0.1989(2) 0.7286(2) 0.1875(2)
C1 C 0.2323(2) 0.5778(2) 0.29160(19)
N9 N 0.5746(2) 0.94600(19) 0.08279(17)
N10 N 0.5054(2) 0.8933(2) 0.43313(16)
H5 H 0.48250 0.86990 0.41680
N11 N 0.4624(3) 0.5036(2) 0.2510(2)
H6 H 0.47250 0.52320 0.27640
N12 N 0.2741(3) 0.8103(2) 0.2019(2)
H7 H 0.31260 0.83740 0.18410
N13 N 0.4679(2) 0.6608(2) 0.04949(17)
H8 H 0.45290 0.66970 0.08440
N14 N 0.6842(2) 0.7932(2) 0.03405(18)
N15 N 0.5794(3) 0.5455(2) 0.1900(2)
N16 N 0.6927(3) 0.8036(2) 0.2963(2)
Cl7 Cl 0.0201(3) 0.9791(3) 0.0506(3)
C2 C 0.4719(3) 1.2064(2) 0.2631(2)
C3 C 0.3137(3) 0.7195(3) 0.46064(19)
C4 C 0.5729(3) 0.9431(2) 0.3383(2)
N17 N 0.3613(3) 0.8185(2) 0.0867(2)
N18 N 0.2655(3) 0.8636(3) 0.2804(2)
C5 C 0.2889(2) 0.6039(2) 0.23983(19)
N19 N 0.7548(2) 0.8412(3) 0.09319(19)
H9 H 0.71520 0.81510 0.10240
C6 C 0.3443(3) 0.7460(2) 0.59538(18)
C7 C 0.1784(2) 0.5295(2) 0.28913(19)
C8 C 0.6329(3) 0.9854(3) 0.0768(2)
C9 C 0.5028(3) 1.1513(2) 0.2927(2)
H10 H 0.53610 1.11850 0.27230
N20 N 0.5623(3) 0.6721(2) 0.2771(2)
H11 H 0.59450 0.70580 0.26320
C10 C 0.1208(2) 0.5050(2) 0.3426(2)
N21 N 0.6057(3) 0.7320(2) 0.3982(2)
H12 H 0.60620 0.72800 0.36410
C11 C 0.4851(3) 1.1443(2) 0.3521(2)
H13 H 0.50560 1.10640 0.37090
C12 C 0.5681(3) 1.2476(2) 0.1672(2)
C13 C 0.2954(2) 0.5827(2) 0.18678(19)
C14 C 0.4911(3) 1.2140(2) 0.1982(2)
H14 H 0.45190 1.24610 0.18860
C15 C 0.7365(3) 1.0644(2) 0.2710(2)
C16 C 0.5617(3) 0.9382(2) 0.39600(19)
C17 C 0.1199(2) 0.5281(2) 0.3925(2)
H15 H 0.08230 0.51360 0.42750
C18 C 0.3579(3) 0.5870(3) 0.0900(2)
C19 C 0.3423(2) 0.7488(2) 0.49789(19)
C20 C 0.2620(3) 0.6663(3) 0.4778(2)
C21 C 0.6770(3) 1.0248(2) 0.3141(2)
C22 C 0.3081(3) 0.5365(3) 0.0845(2)
H16 H 0.31550 0.52170 0.04910
O21 O 0.7808(4) 0.5750(5) 0.0489(3)
N22 N 0.4347(3) 0.5545(2) 0.4365(2)
H17 H 0.45230 0.55820 0.39960
C23 C 0.2410(3) 0.5331(2) 0.18709(19)
C24 C 0.4808(3) 0.8806(2) 0.49165(19)
C25 C 0.2065(4) 0.4338(4) 0.0819(3)
H18 H 0.25470 0.40700 0.07010
H19 H 0.20630 0.47120 0.05100
C26 C 0.6285(3) 0.9863(2) 0.2953(2)
C27 C 0.3936(3) 0.8012(2) 0.57546(19)
H20 H 0.41010 0.82260 0.60040
C28 C 0.4228(3) 0.6153(3) 0.0376(2)
N23 N 0.2688(3) 0.9247(3) 0.3514(2)
H21 H 0.31310 0.93860 0.32800
C29 C 0.6447(3) 0.7641(3) 0.0054(2)
C30 C 0.6661(3) 1.0201(2) 0.3735(2)
H22 H 0.69750 1.04550 0.38560
C31 C 0.3511(3) 0.7339(2) 0.6914(2)
H23 H 0.32160 0.77370 0.70820
H24 H 0.40470 0.74720 0.67310
C32 C 0.3141(3) 0.7187(2) 0.5575(2)
C33 C 0.1837(2) 0.5074(2) 0.23715(19)
H25 H 0.14870 0.47540 0.23610
C34 C 0.4352(3) 0.9250(2) 0.1970(2)
C35 C 0.4190(3) 0.8248(2) 0.51527(19)
C36 C 0.1785(3) 0.5749(2) 0.3887(2)
O22 O 0.3442(3) 0.4988(3) 0.5159(2)
N24 N 0.3841(3) 0.4839(2) 0.3673(2)
C37 C 0.3970(3) 1.0450(2) 0.1811(2)
H26 H 0.34300 1.03450 0.18980
H27 H 0.42240 1.04710 0.13990
N25 N 0.5188(3) 0.6437(2) 0.42342(18)
C38 C 0.2615(3) 0.6641(3) 0.5751(2)
H28 H 0.24350 0.64520 0.61370
C39 C 0.5777(3) 0.7257(3) 0.0377(2)
C40 C 0.5607(3) 0.9349(2) 0.0353(2)
C41 C 0.2355(3) 0.6375(3) 0.5368(2)
H29 H 0.20080 0.60080 0.54950
C42 C 0.2504(3) 0.5109(3) 0.1314(2)
C43 C 0.7427(3) 1.0654(2) 0.2136(2)
H30 H 0.78080 1.09130 0.18440
C44 C 0.6897(3) 1.0262(2) 0.2008(2)
C45 C 0.9154(3) 0.6439(3) 0.2984(3)
C46 C 0.5346(3) 0.6946(3) 0.0129(2)
C47 C 0.6522(3) 0.7824(3) 0.4006(2)
C48 C 0.5568(3) 0.6850(3) 0.4423(2)
C49 C 0.1794(3) 0.5981(3) 0.4441(2)
C50 C 0.7043(3) 0.8171(2) 0.3436(2)
C51 C 0.0161(3) 0.4255(3) 0.3905(2)
H31 H -0.02380 0.45940 0.40710
H32 H 0.04100 0.40690 0.41850
N26 N 0.7003(3) 0.5860(3) 0.1397(2)
H33 H 0.69820 0.60390 0.16980
C52 C 0.5719(4) 1.3194(3) 0.1448(3)
H34 H 0.52660 1.34610 0.14890
C53 C 0.7671(3) 0.5569(3) 0.3238(4)
H35 H 0.79600 0.57280 0.28390
H36 H 0.78860 0.51150 0.33470
C54 C 0.6375(3) 1.2104(3) 0.1605(2)
H37 H 0.63630 1.16290 0.17520
C55 C 0.5846(3) 0.6113(3) 0.3007(2)
C56 C 0.6978(3) 1.0302(2) 0.1378(2)
C57 C 0.4852(3) 1.1427(2) 0.1776(2)
H38 H 0.50280 1.14880 0.13590
H39 H 0.51930 1.10810 0.19030
C58 C 0.4037(3) 1.1147(3) 0.2003(2)
H40 H 0.36980 1.14930 0.18740
H41 H 0.38610 1.10910 0.24200
C59 C 0.7621(4) 0.8616(3) 0.3439(3)
H42 H 0.76730 0.86910 0.37840
C60 C 0.4724(3) 0.8685(3) 0.0066(2)
C61 C 0.4852(4) 0.8054(3) 0.2174(3)
H43 H 0.53960 0.79490 0.19900
H44 H 0.45720 0.79460 0.19300
C62 C 0.6098(3) 0.9785(2) 0.4135(2)
H45 H 0.60310 0.97660 0.45240
C63 C 0.3446(3) 0.6704(3) 0.7374(2)
H46 H 0.36010 0.68570 0.76780
C64 C 0.8106(3) 0.8938(3) 0.2923(3)
C65 C 0.3992(3) 0.4625(2) 0.2696(3)
C66 C 0.7309(3) 0.8254(3) 0.1930(2)
C67 C 0.6069(3) 0.9624(3) -0.0201(2)
H47 H 0.59680 0.95330 -0.05250
C68 C 0.4368(3) 1.1936(3) 0.3837(2)
H48 H 0.42450 1.18910 0.42340
C69 C 0.7740(3) 0.8567(3) 0.1405(3)
C70 C 0.5497(4) 0.6816(3) 0.5004(3)
H49 H 0.57660 0.71140 0.51300
C71 C 0.6305(3) 0.5600(3) 0.1384(2)
C72 C 0.8467(3) 0.9138(3) 0.1845(3)
H50 H 0.88640 0.94320 0.18150
C73 C -0.0185(3) 0.3662(3) 0.3732(2)
H51 H -0.05630 0.34290 0.40810
C74 C 0.5591(3) 0.6997(3) -0.0480(2)
H52 H 0.53140 0.67750 -0.06540
C75 C 0.7410(3) 0.8364(2) 0.2447(2)
C76 C 0.6442(4) 1.3512(3) 0.1160(3)
H53 H 0.64650 1.39850 0.10010
C77 C 0.7097(4) 1.3128(3) 0.1117(2)
H54 H 0.75720 1.33440 0.09410
C78 C 0.6201(4) 0.5502(3) 0.0867(3)
H55 H 0.65730 0.56260 0.05110
C79 C 0.8343(3) 0.9021(3) 0.1356(3)
H56 H 0.86470 0.92340 0.09980
C80 C 0.8090(3) 0.8728(4) -0.1782(2)
H57 H 0.85800 0.85400 -0.17500
H58 H 0.79880 0.91790 -0.16380
C81 C 0.7451(3) 0.8291(3) 0.0028(2)
C82 C 0.5128(3) 0.5171(3) 0.1941(3)
C83 C 0.9790(4) 0.6058(4) 0.2693(5)
H59 H 0.98840 0.56060 0.28540
C84 C 0.8002(3) 0.8819(3) 0.2403(3)
C85 C 0.4233(3) 1.2564(3) 0.2958(2)
H60 H 0.40170 1.29400 0.27750
C86 C 0.3577(3) 0.4530(3) 0.3329(3)
C87 C 0.8949(3) 1.1650(3) 0.2761(2)
H61 H 0.91820 1.12470 0.29420
C88 C 0.7310(3) 0.8148(3) -0.0871(2)
C89 C 0.8615(3) 0.6133(3) 0.3589(3)
H62 H 0.87900 0.56460 0.36680
C90 C 0.7760(3) 0.6107(3) 0.3620(3)
H63 H 0.74390 0.59710 0.40150
H64 H 0.75870 0.65720 0.34900
C91 C 0.6235(3) 0.7371(3) -0.0813(2)
H65 H 0.63880 0.74020 -0.12120
C92 C 0.7721(3) 0.8425(3) -0.0576(2)
H66 H 0.81590 0.86900 -0.07730
C93 C 0.6669(3) 0.7711(3) -0.0558(2)
C94 C 0.2520(3) 0.7695(3) 0.1696(3)
C95 C 0.6843(3) 1.0161(3) 0.0226(2)
H67 H 0.72600 1.04290 0.01970
C96 C 0.2623(4) 0.6447(3) 0.7651(3)
H68 H 0.22880 0.68280 0.78040
H69 H 0.26040 0.60700 0.79560
H70 H 0.24560 0.62790 0.73680
C97 C 0.7077(3) 1.2412(3) 0.1330(3)
H71 H 0.75330 1.21470 0.12860
C98 C 0.2970(3) 0.7809(3) 0.1053(2)
C99 C 0.6825(3) 0.5484(3) 0.3297(3)
H72 H 0.67730 0.50770 0.31260
H73 H 0.65110 0.54170 0.37000
C100 C 0.3987(4) 0.8269(3) 0.0305(2)
C101 C -0.0618(3) 0.3947(3) 0.3310(3)
H74 H -0.08290 0.35610 0.32100
H75 H -0.02660 0.41960 0.29680
H76 H -0.10290 0.42620 0.34870
C102 C 0.8457(3) 1.1376(3) 0.2459(2)
H77 H 0.82510 1.17660 0.22530
H78 H 0.87660 1.10720 0.21850
C103 C 0.4837(3) 0.6830(3) 0.2742(3)
H79 H 0.44840 0.65430 0.30660
H80 H 0.48220 0.66750 0.23930
C104 C 0.2403(3) 0.8120(3) 0.2604(3)
C105 C 0.8488(4) 1.2093(3) 0.3215(3)
H81 H 0.88240 1.22610 0.33890
H82 H 0.80930 1.18140 0.35040
H83 H 0.82540 1.24880 0.30430
C106 C 0.2358(3) 0.8695(3) 0.3359(3)
C107 C 0.6676(3) 1.0031(3) -0.0248(2)
H84 H 0.69850 1.02250 -0.06120
C108 C 0.4076(4) 1.2498(3) 0.3544(3)
H85 H 0.37660 1.28390 0.37480
C109 C 0.7882(3) 0.8606(3) 0.0356(2)
C110 C 0.4971(4) 0.5023(3) 0.1452(3)
H86 H 0.45180 0.48070 0.14850
C111 C 0.4564(3) 0.7606(3) 0.2749(2)
H87 H 0.40040 0.76260 0.28850
H88 H 0.47380 0.78040 0.30210
Cl8 Cl 0.1395(5) 0.9128(5) 0.1173(6)
C112 C 0.4599(4) 0.5872(3) 0.5208(2)
H89 H 0.42720 0.55350 0.54670
C113 C 0.8720(4) 0.6542(3) 0.4046(3)
C114 C 0.1559(4) 0.7729(3) 0.3528(3)
H90 H 0.11930 0.74170 0.37800
C115 C 0.2911(4) 0.4111(3) 0.3548(4)
H91 H 0.27340 0.39040 0.33010
C116 C 0.4703(3) 0.5950(3) 0.4619(2)
C117 C 0.3709(4) 0.7995(4) -0.0084(3)
H92 H 0.39740 0.80740 -0.04780
C118 C 0.4007(4) 0.6123(3) 0.7135(3)
H93 H 0.45200 0.63060 0.69700
H94 H 0.38640 0.59490 0.68430
H95 H 0.39950 0.57460 0.74380
C119 C 0.8124(3) 0.8821(3) -0.2416(2)
H96 H 0.76150 0.89980 -0.24280
C120 C 0.4997(4) 0.6310(3) 0.5386(3)
H97 H 0.49330 0.62710 0.57750
C121 C 0.1828(4) 0.7651(3) 0.2960(3)
H98 H 0.16420 0.73080 0.28160
C122 C 0.2391(3) 0.9586(4) 0.3990(3)
C123 C 1.0151(4) 0.7008(4) 0.1926(4)
H99 H 1.04900 0.72020 0.15740
C124 C 0.5520(4) 0.5214(4) 0.0925(3)
H100 H 0.54200 0.51440 0.05950
C125 C 0.2876(4) 1.0132(4) 0.4069(3)
C126 C 0.8920(5) 0.9438(4) 0.3336(4)
H101 H 0.84730 0.94430 0.36810
H102 H 0.91870 0.98780 0.32690
C127 C 0.9715(6) 0.8969(6) 0.3939(4)
H103 H 1.00330 0.85780 0.40240
H104 H 0.92700 0.90150 0.42720
H105 H 1.00050 0.93940 0.38340
C128 C 0.9027(4) 0.7114(3) 0.2733(4)
H106 H 0.86050 0.73830 0.29250
C129 C 0.8698(5) 0.9378(5) -0.2750(3)
H107 H 0.87110 0.94540 -0.31430
H108 H 0.92020 0.92270 -0.27350
H109 H 0.85500 0.98100 -0.25860
C130 C 0.0427(4) 0.3111(3) 0.3489(3)
H110 H 0.01920 0.27450 0.33840
H111 H 0.06550 0.29120 0.37750
H112 H 0.08200 0.33290 0.31560
C131 C 0.2669(4) 0.7523(3) 0.0694(3)
H113 H 0.22140 0.72720 0.08440
C132 C 0.1377(4) 0.3859(4) 0.0958(3)
H114 H 0.14600 0.36220 0.06200
C133 C 0.1806(4) 0.8250(3) 0.3743(3)
H115 H 0.16100 0.83010 0.41320
C134 C 0.2806(4) 0.4331(3) 0.4488(4)
H116 H 0.25540 0.42630 0.48840
C135 C 1.0291(4) 0.6337(5) 0.2165(5)
H117 H 1.07190 0.60750 0.19730
C136 C 0.9501(5) 0.1113(5) 0.4654(3)
H118 H 0.92150 0.08570 0.50290
C137 C 0.3465(3) 0.4748(3) 0.4239(3)
C138 C 0.8190(4) 0.7022(3) 0.4305(3)
H119 H 0.77440 0.71050 0.42050
C139 C 0.2543(4) 0.4019(3) 0.4109(4)
H120 H 0.21050 0.37450 0.42560
C140 C 0.9397(4) 0.6427(4) 0.4190(4)
H121 H 0.97680 0.61060 0.40090
C141 C 0.8279(4) 0.8131(4) -0.2654(3)
H122 H 0.82880 0.82060 -0.30460
H123 H 0.78800 0.78070 -0.24300
H124 H 0.87700 0.79380 -0.26390
C142 C 1.0124(5) 0.8773(5) 0.2917(4)
H125 H 1.04320 0.83710 0.29960
H126 H 1.04240 0.91910 0.28240
H127 H 0.99620 0.87140 0.25990
C143 C 0.3750(4) 0.5097(3) 0.4632(3)
C144 C 0.3054(5) 0.7618(4) 0.0119(3)
H128 H 0.28700 0.74260 -0.01310
C145 C 0.8288(6) 0.7401(4) 0.4721(4)
H129 H 0.79150 0.77250 0.48960
C146 C 0.9520(4) 0.7388(3) 0.2204(4)
H130 H 0.94200 0.78350 0.20350
C147 C 0.9599(4) 1.2093(4) 0.2308(3)
H131 H 0.99120 1.22750 0.24950
H132 H 0.93770 1.24780 0.21160
H133 H 0.99150 1.18030 0.20320
C148 C 0.8983(7) 0.7264(6) 0.4859(5)
H134 H 0.90730 0.75020 0.51290
C149 C 0.8210(8) 0.6589(6) 0.1555(8)
H135 H 0.86470 0.66650 0.16660
H136 H 0.77710 0.64750 0.18920
H137 H 0.80970 0.70100 0.13320
C150 C 0.1359(5) 0.3284(4) 0.1457(3)
H138 H 0.09250 0.29890 0.15360
H139 H 0.13140 0.34970 0.17920
H140 H 0.18270 0.30040 0.13560
C151 C 0.9446(5) 0.8838(4) 0.3423(4)
H141 H 0.91580 0.83990 0.35300
C152 C 0.2732(5) 1.0819(4) 0.3765(4)
H142 H 0.28270 1.07770 0.33680
H143 H 0.30700 1.11610 0.37930
H144 H 0.22050 1.09670 0.39370
C153 C 0.3763(5) 0.9926(4) 0.3798(5)
H145 H 0.38940 0.99430 0.33890
H146 H 0.38590 0.94570 0.39620
H147 H 0.40730 1.02520 0.38790
C154 C 0.7710(6) 0.5851(5) 0.0970(4)
C155 C 0.8404(6) 0.5947(6) 0.1174(4)
C156 C 0.9528(5) 0.6774(5) 0.4589(4)
H148 H 0.99800 0.66830 0.46800
C157 C 0.0613(5) 0.4277(5) 0.1053(5)
H149 H 0.01990 0.39570 0.11330
H150 H 0.06400 0.46000 0.07140
H151 H 0.05200 0.45340 0.13730
C158 C 0.8523(7) 0.5288(6) 0.1570(6)
H152 H 0.86270 0.48870 0.13640
H153 H 0.80640 0.52090 0.18990
H154 H 0.89510 0.53540 0.16940
C159 C 0.2702(10) 1.0106(10) 0.4707(5)
H155 H 0.30060 1.04470 0.47770
H156 H 0.28260 0.96430 0.48660
H157 H 0.21630 1.02110 0.48860
C160 C 0.9170(7) 0.5972(7) 0.0659(6)
H158 H 0.92070 0.55710 0.04620
H159 H 0.95990 0.59630 0.07980
H160 H 0.91760 0.63970 0.03990
C161 C 0.9884(6) 0.1789(6) 0.0245(5)
H161 H 1.02680 0.14020 0.02010
Cl9 Cl 0.04082(16) 1.03789(18) 0.14199(13)
Cl10 Cl 0.1503(18) 0.6121(10) 0.0478(16)
C162 C 0.0907(6) 0.9824(5) 0.0871(6)
H162 H 0.13190 1.01180 0.05950
Cl11 Cl 0.0857(9) 0.6353(10) -0.0495(14)
Cl12 Cl 0.050(2) 0.5214(16) 0.024(2)
C163 C 0.1337(19) 0.5722(16) -0.012(2)
H163 H 0.17820 0.54740 -0.03630
Cl13? Cl 0.0596(4) 0.9155(3) 0.0862(3)
Cl14? Cl 0.8819(6) 0.2007(5) 0.4613(4)
Cl15? Cl 0.9860(6) 0.1077(5) 0.3895(4)
#END
